SCHEMBL26530733

SCHEMBL26530733

CNc1cc2c(cc1-c1ccccc1)-c1ccccc1C2(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ TDP1 Q9NUW8 4/20 0.33
▸ MAPT P10636 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ PGR P06401 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ MLNR O43193 1/20 0.32
▸ NR1I2 O75469 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25125384 0.85 FABP4 (0.42) MAPTL3MBTL1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL26660392 0.85 MAPT (0.37) PDK2TDP1MAPTSMN1; SMN2EGFR
SCHEMBL30612824 0.85 MAPT (0.37) PDK2TDP1MAPTSMN1; SMN2EGFR
SCHEMBL25524265 0.82 PTGER4 (0.37) PDK2TDP1MAPTSMN1; SMN2EGFR
SCHEMBL25125095 0.82 FABP4 (0.40) PDK2MAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL29662239 0.82 PTGER4 (0.37) PDK2TDP1MAPTSMN1; SMN2EGFR
SCHEMBL15137673 0.79 PDK2 (0.41) PDK2HSD17B10
SCHEMBL25858284 0.79 FABP4 (0.42) MAPTL3MBTL1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL21257277 0.79 BACE1 (0.50) PDK2TDP1PGRTHRBALDH1A1
SCHEMBL14886330 0.79 ESR2 (0.41) PDK2TDP1PGRTHRBALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4257586-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING DEVICE LT Materials Co., Ltd. (KR) 2023-10-11 — — EP disclosed
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